N-(3-morpholin-4-ium-4-ylpropyl)-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-(7H-purin-6-ylthio)acetamide Formula: C14H21N6O2S+ MolecularWeight: 337.42054

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)CSC2=NC=NC3=C2NC=N3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)CSC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C14H20N6O2S/c21-11(15-2-1-3-20-4-6-22-7-5-20)8-23-14-12-13(17-9-16-12)18-10-19-14/h9-10H,1-8H2,(H,15,21)(H,16,17,18,19)/p+1